SCHEMBL25310465

SCHEMBL25310465

O=C(CCCc1n[nH]c(=O)c2ccccc12)N1CCC(c2ncc(C(F)(F)F)cn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TIPARP Q7Z3E1 8/20 0.46
▸ PARP1 P09874 7/20 0.46
▸ TNKS O95271 3/20 0.45
▸ PARP2 Q9UGN5 3/20 0.45
▸ ROCK2 O75116 1/20 0.42
▸ ROCK1 Q13464 1/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25307515 0.90 PARP1 (0.44) TIPARPPARP1TNKSPARP2ROCK2
SCHEMBL25309030 0.85 TIPARP (0.63) TIPARPPARP1TNKSROCK2ROCK1
SCHEMBL25309796 0.83 TIPARP (0.67) TIPARPPARP1ROCK2ROCK1
SCHEMBL25309636 0.82 TIPARP (0.59) TIPARPPARP1TNKSROCK2ROCK1
SCHEMBL25309989 0.82 PARP1 (0.46) TIPARPPARP1TNKSPARP2MAPT
SCHEMBL25308789 0.82 TNKS (0.51) TIPARPPARP1TNKSMAPTSMN1; SMN2
SCHEMBL25309193 0.81 PARP1 (0.51) TIPARPPARP1MAPT
SCHEMBL25309586 0.81 PARP1 (0.46) TIPARPPARP1TNKSPARP2MAPT
SCHEMBL30510755 0.80 PARP1 (0.53) TIPARPPARP1TNKSPARP2MAPT
SCHEMBL30510763 0.79 KMT2A (0.57) TIPARPPARP1MAPTSMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023139536-A1 (4-PIPERAZIN-1YL)-4-ALKYL-PHTHALAZIN-1(2H)-ONE COMPOUNDS AS PARP7 INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 — — WO claimed
WO-2023139536-A1 (4-PIPERAZIN-1YL)-4-ALKYL-PHTHALAZIN-1(2H)-ONE COMPOUNDS AS PARP7 INHIBITORS RHIZEN PHARMACEUTICALS AG (CH) 2023-07-27 — — WO disclosed
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